N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide

C15H23N3O2 — CID 82732033

IUPACN-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(N)cc1)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-18(14-8-10-20-11-14)9-2-3-15(19)17-13-6-4-12(16)5-7-13/h4-7,14H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyGSIGRJYUKHKZHY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.71
Rot. Bonds6

About N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide

N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide (PubChem CID 82732033) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide
PubChem CID82732033
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(N)cc1)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-18(14-8-10-20-11-14)9-2-3-15(19)17-13-6-4-12(16)5-7-13/h4-7,14H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyGSIGRJYUKHKZHY-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732203
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
CID 61289162
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732862
N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide
CID 62383127
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
N-(4-aminophenyl)-4-(oxetan-3-ylsulfanyl)butanamide
CID 79326272
N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569623
N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79383773
N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82733451
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
CID 81053044
N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985414

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide?
The IUPAC name of N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide (CID 82732033) is N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide is CN(CCCC(=O)Nc1ccc(N)cc1)C1CCOC1.
What is the InChIKey of N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide?
The InChIKey is GSIGRJYUKHKZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(14-8-10-20-11-14)9-2-3-15(19)17-13-6-4-12(16)5-7-13/h4-7,14H,2-3,8-11,16H2,1H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide?
N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide has a molecular weight of 277.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide is sourced from PubChem (CID 82732033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).